5-methylsulfanyl-2-pentadecanyl-1,2,4-triazolo[1,5-c]quinazoline | 515132-95-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 5-methylsulfanyl-2-pentadecanyl-1,2,4-triazolo[1,5-c]quinazoline
• 英文别名: 5-Methylsulfanyl-2-pentadecyl-[1,2,4]triazolo[1,5-c]quinazoline
• CAS: 515132-95-3
• 化学式: C₂₅H₃₈N₄S
• 分子量: 426.67
• InChiKey: PQUHLTFINKVGSO-UHFFFAOYSA-N

物化性质

• 密度：
  1.10±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  10
• 重原子数：
  30
• 可旋转键数：
  15
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  68.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  哌啶 、 5-methylsulfanyl-2-pentadecanyl-1,2,4-triazolo[1,5-c]quinazoline 反应 16.0h， 以97%的产率得到2-pentadecanyl-5-piperidino-1,2,4-triazolo[1,5-c]quinazoline
  参考文献：
  名称：

  Domino Cyclization of 2-Isothiocyanatobenzonitrile with Carboxylic Hydrazides − One-Pot Synthesis of 1,2,4-Triazolo[1,5-c]quinazoline-5(6H)-thiones

  摘要：

  One-pot reactions between carboxylic hydrazides and 2-isothiocyanatobenzonitrile afforded pharmacologically relevant 1,2,4-triazolo[1,5-c]quinazoline-5(6H)-thiones in good yields. These compounds were transformed into the corresponding amino-substituted derivatives in good yields in one or two steps. ((C) Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003).

  DOI：

  10.1002/1099-0690(200301)2003:1<182::aid-ejoc182>3.0.co;2-s
• 作为产物：
  描述：

  2-氰基苯基异氰酸酯 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 6.08h， 生成 5-methylsulfanyl-2-pentadecanyl-1,2,4-triazolo[1,5-c]quinazoline
  参考文献：
  名称：

  Domino Cyclization of 2-Isothiocyanatobenzonitrile with Carboxylic Hydrazides − One-Pot Synthesis of 1,2,4-Triazolo[1,5-c]quinazoline-5(6H)-thiones

  摘要：

  One-pot reactions between carboxylic hydrazides and 2-isothiocyanatobenzonitrile afforded pharmacologically relevant 1,2,4-triazolo[1,5-c]quinazoline-5(6H)-thiones in good yields. These compounds were transformed into the corresponding amino-substituted derivatives in good yields in one or two steps. ((C) Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003).

  DOI：

  10.1002/1099-0690(200301)2003:1<182::aid-ejoc182>3.0.co;2-s

文献信息

• Domino Cyclization of 2-Isothiocyanatobenzonitrile with Carboxylic Hydrazides − One-Pot Synthesis of 1,2,4-Triazolo[1,5-c]quinazoline-5(6H)-thiones
  作者：Janet Blank、Madeleine Kandt、Wolf-Diethard Pfeiffer、Annemarie Hetzheim、Peter Langer

  DOI：10.1002/1099-0690(200301)2003:1<182::aid-ejoc182>3.0.co;2-s

  日期：2003.1

  One-pot reactions between carboxylic hydrazides and 2-isothiocyanatobenzonitrile afforded pharmacologically relevant 1,2,4-triazolo[1,5-c]quinazoline-5(6H)-thiones in good yields. These compounds were transformed into the corresponding amino-substituted derivatives in good yields in one or two steps. ((C) Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003).